N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[3-ethoxy-4-(2-fluorobenzyl)oxy-benzylidene]amino]-5-nitro-benzothiophene-2-carboxamide Formula: C25H20FN3O5S MolecularWeight: 493.506803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=C4F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=C4F

InChI

InChI=1S/C25H20FN3O5S/c1-2-33-22-11-16(7-9-21(22)34-15-17-5-3-4-6-20(17)26)14-27-28-25(30)24-13-18-12-19(29(31)32)8-10-23(18)35-24/h3-14H,2,15H2,1H3,(H,28,30)